1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone

C13H20N4O3 — CID 91914172

IUPAC1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Oc2nccnc2N(C)C)C1
InChIInChI=1S/C13H20N4O3/c1-16(2)12-13(15-6-5-14-12)20-10-4-7-17(8-10)11(18)9-19-3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyMCJDYLJCDBYAJS-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.17
Rot. Bonds5

About 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone

1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 91914172) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
PubChem CID91914172
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Oc2nccnc2N(C)C)C1
InChIInChI=1S/C13H20N4O3/c1-16(2)12-13(15-6-5-14-12)20-10-4-7-17(8-10)11(18)9-19-3/h5-6,10H,4,7-9H2,1-3H3
InChIKeyMCJDYLJCDBYAJS-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 110875627
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160
1-[3-(5-bromo-3-methylpyrazin-2-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 167350868
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
cyclobutyl-[3-[3-[methyl(propyl)amino]pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914220
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone (CID 91914172) is 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(Oc2nccnc2N(C)C)C1.
What is the InChIKey of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is MCJDYLJCDBYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(2)12-13(15-6-5-14-12)20-10-4-7-17(8-10)11(18)9-19-3/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone?
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 280.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 91914172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).